The σ-hole revisited
نویسندگان
چکیده
منابع مشابه
ETS-NOCV description of σ-hole bonding
The ETS-NOCV analysis was applied to describe the σ-hole in a systematic way in a series of halogen compounds, CF3-X (X = I, Br, Cl, F), CH3I, and C(CH3)nH3-n-I (n = 1,2,3), as well as for the example germanium-based systems. GeXH3, X = F, Cl, H. Further, the ETS-NOCV analysis was used to characterize bonding with ammonia for these systems. The results show that the dominating contribution to t...
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ژورنال
عنوان ژورنال: Physical Chemistry Chemical Physics
سال: 2017
ISSN: 1463-9076,1463-9084
DOI: 10.1039/c7cp06793c